3-(1-oxidanyl-3-oxidanylidene-4H-isoquinolin-2-ium-2-yl)propyl N-cyclohexylsulfamate

Systemtic Name: 3-(1-oxidanyl-3-oxidanylidene-4H-isoquinolin-2-ium-2-yl)propyl N-cyclohexylsulfamate Openeye Name: 3-(1-hydroxy-3-oxo-4H-isoquinolin-2-ium-2-yl)propyl N-cyclohexylsulfamate CAS Name: N-cyclohexylsulfamic acid 3-(1-hydroxy-3-oxo-4H-isoquinolin-2-ium-2-yl)propyl ester IUPAC Name: 3-(1-hydroxy-3-oxo-4H-isoquinolin-2-ium-2-yl)propyl N-cyclohexylsulfamate Traditional Name: N-cyclohexylsulfamic acid 3-(1-hydroxy-3-keto-4H-isoquinolin-2-ium-2-yl)propyl ester Formula: C18H25N2O5S+ MolecularWeight: 381.4665

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)OCCC[N+]2=C(C3=CC=CC=C3CC2=O)O

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)OCCC[N+]2=C(C3=CC=CC=C3CC2=O)O

InChI

InChI=1S/C18H24N2O5S/c21-17-13-14-7-4-5-10-16(14)18(22)20(17)11-6-12-25-26(23,24)19-15-8-2-1-3-9-15/h4-5,7,10,15,19H,1-3,6,8-9,11-13H2/p+1